Vitas-M small molecule compound
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-nitrobenzamide
Catalog ID
STK498341
SMILES CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1cccc(c1C)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-3-5-17(24)22-19-21-14-9-8-12(10-16(14)28-19)20-18(25)13-6-4-7-15(11(13)2)23(26)27/h4,6-10H,3,5H2,1-2H3,(H,20,25)(H,21,22,24)InChIKey
NTJCHCOYROIEAQ-UHFFFAOYSA-NSynonyms
CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C(=CC=C3)(N+)(=O)(O))C
CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC19H18N4O4Sc13517(24)221921149812(1016(14)2819)2018(25)1364715(11(13)2)23(26)27h4610H35H212H3(H2025)(H212224)
MFCD09563441
N(2(butanoylamino)13benzothiazol6yl)2methyl3nitrobenzamide
ZINC000017081464
ZINC17081464
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